1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine

C14H17N3 — CID 117327427

IUPAC1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine
SMILESCC1CCc2ccc(-c3cc(N)n(C)n3)cc21
InChIInChI=1S/C14H17N3/c1-9-3-4-10-5-6-11(7-12(9)10)13-8-14(15)17(2)16-13/h5-9H,3-4,15H2,1-2H3
InChIKeyLAEGACWDKOXAGS-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.72
Rot. Bonds1

About 1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine

1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine (PubChem CID 117327427) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine
PubChem CID117327427
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine
SMILESCC1CCc2ccc(-c3cc(N)n(C)n3)cc21
InChIInChI=1S/C14H17N3/c1-9-3-4-10-5-6-11(7-12(9)10)13-8-14(15)17(2)16-13/h5-9H,3-4,15H2,1-2H3
InChIKeyLAEGACWDKOXAGS-UHFFFAOYSA-N
XLogP2.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine (CID 117327427) is 1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine is CC1CCc2ccc(-c3cc(N)n(C)n3)cc21.
What is the InChIKey of 1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine?
The InChIKey is LAEGACWDKOXAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-3-4-10-5-6-11(7-12(9)10)13-8-14(15)17(2)16-13/h5-9H,3-4,15H2,1-2H3.
What are the key properties of 1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine?
1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine has a molecular weight of 227.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine is sourced from PubChem (CID 117327427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).